ethyl 4-[2-[(4S)-1-(3-chlorophenyl)-5-oxidanylidene-3-phenethyl-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate

Systemtic Name: ethyl 4-[2-[(4S)-1-(3-chlorophenyl)-5-oxidanylidene-3-phenethyl-2-sulfanylidene-imidazolidin-4-yl]ethanoylamino]benzoate Openeye Name: ethyl 4-[[2-[(4S)-1-(3-chlorophenyl)-5-oxo-3-phenethyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoate CAS Name: 4-[[2-[(4S)-1-(3-chlorophenyl)-5-oxo-3-phenethyl-2-sulfanylidene-4-imidazolidinyl]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[2-[(4S)-1-(3-chlorophenyl)-5-oxo-3-phenethyl-2-sulfanylideneimidazolidin-4-yl]acetyl]amino]benzoate Traditional Name: 4-[[2-[(4S)-1-(3-chlorophenyl)-5-keto-3-phenethyl-2-thioxo-imidazolidin-4-yl]acetyl]amino]benzoic acid ethyl ester Formula: C28H26ClN3O4S MolecularWeight: 536.04174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CC2C(=O)N(C(=S)N2CCC3=CC=CC=C3)C4=CC(=CC=C4)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C[C@H]2C(=O)N(C(=S)N2CCC3=CC=CC=C3)C4=CC(=CC=C4)Cl

InChI

InChI=1S/C28H26ClN3O4S/c1-2-36-27(35)20-11-13-22(14-12-20)30-25(33)18-24-26(34)32(23-10-6-9-21(29)17-23)28(37)31(24)16-15-19-7-4-3-5-8-19/h3-14,17,24H,2,15-16,18H2,1H3,(H,30,33)/t24-/m0/s1